5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide

C26H21F4N3O3 — CID 53115246

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C26H21F4N3O3/c27-17-7-5-16(6-8-17)23-24(33(15-31-23)19-3-1-2-4-19)21-13-14-22(35-21)25(34)32-18-9-11-20(12-10-18)36-26(28,29)30/h5-15,19H,1-4H2,(H,32,34)
InChIKeyPGFXFAOPCBAZDE-UHFFFAOYSA-N
MW499.46 g/mol
LogP7.22
Rot. Bonds6

About 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 53115246) has the molecular formula C26H21F4N3O3 and a molecular weight of 499.46 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID53115246
Molecular FormulaC26H21F4N3O3
Molecular Weight499.46 g/mol
Exact Mass499.15
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C26H21F4N3O3/c27-17-7-5-16(6-8-17)23-24(33(15-31-23)19-3-1-2-4-19)21-13-14-22(35-21)25(34)32-18-9-11-20(12-10-18)36-26(28,29)30/h5-15,19H,1-4H2,(H,32,34)
InChIKeyPGFXFAOPCBAZDE-UHFFFAOYSA-N
XLogP7.22
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.46
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (CID 53115246) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is PGFXFAOPCBAZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N3O3/c27-17-7-5-16(6-8-17)23-24(33(15-31-23)19-3-1-2-4-19)21-13-14-22(35-21)25(34)32-18-9-11-20(12-10-18)36-26(28,29)30/h5-15,19H,1-4H2,(H,32,34).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 499.46 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 53115246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).